1,2,3-trimethoxy-5-methylidenecyclohexane

C10H18O3 — CID 91345450

IUPAC1,2,3-trimethoxy-5-methylidenecyclohexane
SMILESC=C1CC(OC)C(OC)C(OC)C1
InChIInChI=1S/C10H18O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h8-10H,1,5-6H2,2-4H3
InChIKeyDEVKJQPIAMRVSC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds3

About 1,2,3-trimethoxy-5-methylidenecyclohexane

1,2,3-trimethoxy-5-methylidenecyclohexane (PubChem CID 91345450) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-methylidenecyclohexane.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-methylidenecyclohexane
PubChem CID91345450
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1,2,3-trimethoxy-5-methylidenecyclohexane
SMILESC=C1CC(OC)C(OC)C(OC)C1
InChIInChI=1S/C10H18O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h8-10H,1,5-6H2,2-4H3
InChIKeyDEVKJQPIAMRVSC-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethoxy-5-methylidenecyclohexane
CID 15710807
1,5-Dimethoxy-2,3-dimethylidenecyclohexane
CID 20632849
1-Ethylidene-3,5-dimethoxycyclohexane
CID 21344808
2,3-Dimethoxy-5-methylidenecyclohexan-1-ol
CID 90756389
2-Ethoxy-1-methoxy-4-methylidenecyclohexane
CID 90955684
1,3-Dimethoxy-2-methylidenecyclohexane
CID 90969283
1,2-Dimethoxy-4-methylidenecyclohexane
CID 91156260
2,4-Dimethoxy-1-methylidenecyclohexane
CID 91329046
1,2-Dimethoxy-4,5-dimethylidenecyclohexane
CID 123565678

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-methylidenecyclohexane?
The IUPAC name of 1,2,3-trimethoxy-5-methylidenecyclohexane (CID 91345450) is 1,2,3-trimethoxy-5-methylidenecyclohexane.
What is the SMILES notation for 1,2,3-trimethoxy-5-methylidenecyclohexane?
The canonical SMILES for 1,2,3-trimethoxy-5-methylidenecyclohexane is C=C1CC(OC)C(OC)C(OC)C1.
What is the InChIKey of 1,2,3-trimethoxy-5-methylidenecyclohexane?
The InChIKey is DEVKJQPIAMRVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 1,2,3-trimethoxy-5-methylidenecyclohexane?
1,2,3-trimethoxy-5-methylidenecyclohexane has a molecular weight of 186.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-methylidenecyclohexane is sourced from PubChem (CID 91345450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).